1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide

C22H28N4O3 — CID 91894808

IUPAC1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C22H28N4O3/c1-2-10-23-21(27)17-8-11-25(12-9-17)22(28)20-18-14-29-19(13-26(18)15-24-20)16-6-4-3-5-7-16/h3-7,15,17,19H,2,8-14H2,1H3,(H,23,27)
InChIKeyWYLXCXQNPFUEQU-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.53
Rot. Bonds5

About 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide

1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide (PubChem CID 91894808) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide
PubChem CID91894808
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1
InChIInChI=1S/C22H28N4O3/c1-2-10-23-21(27)17-8-11-25(12-9-17)22(28)20-18-14-29-19(13-26(18)15-24-20)16-6-4-3-5-7-16/h3-7,15,17,19H,2,8-14H2,1H3,(H,23,27)
InChIKeyWYLXCXQNPFUEQU-UHFFFAOYSA-N
XLogP2.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744388
N-[2-(dimethylamino)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91894786
N-(cyclohexylmethyl)-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744438
N-[(2-chlorophenyl)methyl]-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744414
N-cyclopropyl-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744253
1-[(6R)-6-(4-methylphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 99744650
N-butyl-1-[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744584
1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 99744394
1-[(6R)-6-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 99744369
N-ethyl-1-[(6R)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 125126661
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 91889502
N-[(3-fluorophenyl)methyl]-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744261

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide (CID 91894808) is 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C(=O)c2ncn3c2COC(c2ccccc2)C3)CC1.
What is the InChIKey of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is WYLXCXQNPFUEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-2-10-23-21(27)17-8-11-25(12-9-17)22(28)20-18-14-29-19(13-26(18)15-24-20)16-6-4-3-5-7-16/h3-7,15,17,19H,2,8-14H2,1H3,(H,23,27).
What are the key properties of 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide?
1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 91894808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).